5-Bromonicotinamide

C6H5BrN2OCAS 28733-43-9201.02 g/mol

Open in Covalent MOL file
H2NONBr
Aryl halide

Properties

Molecular formula
C6H5BrN2O
Molar mass
201.02 g/mol
Exact mass
199.9585 Da
logP
1.73Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28733-43-9
SMILES
N=C(O)c1cncc(Br)c1
InChIKey
YOQRXZIMSKLRCY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)

Weigh it out

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Names and synonyms

3 names
  • 3-Pyridinecarboxamide, 5-bromo-
  • Nicotinamide, 5-bromo-
  • 5-Bromo-3-pyridinecarboxamide

Work with 5-Bromonicotinamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromonicotinic acid20826-04-456 % similar 3-Bromobenzamide22726-00-753 % similar 3,5-Dibromopyridine625-92-350 % similar Nicotinamide98-92-048 % similar 3-Acetyl-5-bromopyridine38940-62-447 % similar 5-Bromonicotinoyl chloride39620-02-547 % similar 5-Bromo-3-pyridinol74115-13-245 % similar Nicotinamide hydriodide3726-23-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-6 6-Bromo-2-pyridinecarboxamide25194-52-9 2-Bromoisonicotinamide29840-73-1 5-Bromopyridine-2-carboxamide 97%5-bromopicolinamide90145-48-5

Elsewhere

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